SCHEMBL9018899

SCHEMBL9018899

Fc1cccc2ccc(CCl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
LMNA P02545 5/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
CCR1 P32246 2/20 0.38
ALDH1A1 P00352 2/20 0.38
AR P10275 1/20 0.37
PFKFB3 Q16875 1/20 0.36
PARP1 P09874 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
PRNP P04156 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3710009 0.81 PARP1 (0.54) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL6196701 0.81 CCR1 (0.63) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL7806536 0.81 CCR1 (0.63) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL31648790 0.79 CCR1 (0.56) PDE10ALMNACCR1ALDH1A1PARP1
SCHEMBL8944345 0.79 CCR1 (0.56) PDE10ALMNACCR1ALDH1A1PARP1
SCHEMBL9018925 0.78 FAAH (0.43) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL12844021 0.78 PDE10A (0.48) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL14911977 0.78 PDE10A (0.45) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL4851483 0.77 AR (0.41) PDE10ALMNAKMT2AMEN1CCR1
SCHEMBL2781605 0.77 METAP2 (0.53) PDE10ALMNAKMT2AMEN1CCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414019-B1 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1996-05-29 EP disclosed
EP-0344519-B1 SUBSTITUTED 4-(QUINOLIN-2-YL-METHOXY)PHENYL-ACETIC-ACID DERIVATIVES BAYER AG (DE) 1993-04-14 EP disclosed
EP-0414019-A2 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1991-02-27 EP disclosed
EP-0387610-A2 Substituted (quinolin-2-yl methoxy)phenyl-N,N'-sulphonyl ureas, processes for their preparation and their use in medicines BAYER AG (DE) 1990-09-19 EP disclosed